carbon monoxide; cobalt; [(3R,4S)-4-phenylhexa-1,5-diyn-3-yl]benzene

Systemtic Name: carbon monoxide; cobalt; [(3R,4S)-4-phenylhexa-1,5-diyn-3-yl]benzene Openeye Name: carbon monoxide; cobalt; [(1R,2S)-1-ethynyl-2-phenyl-but-3-ynyl]benzene CAS Name: carbon monoxide; cobalt; [(3R,4S)-4-phenylhexa-1,5-diyn-3-yl]benzene IUPAC Name: carbon monoxide; cobalt; [(3R,4S)-4-phenylhexa-1,5-diyn-3-yl]benzene Traditional Name: carbon monoxide; cobalt; [(1R,2S)-1-ethynyl-2-phenyl-but-3-ynyl]benzene Formula: C30H14Co4O12 MolecularWeight: 802.15776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC(C1=CC=CC=C1)C(C#C)C2=CC=CC=C2.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co].[Co].[Co]

Isomeric SMILES

C#C[C@H](C1=CC=CC=C1)[C@@H](C#C)C2=CC=CC=C2.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co].[Co].[Co]

InChI

InChI=1S/C18H14.12CO.4Co/c1-3-17(15-11-7-5-8-12-15)18(4-2)16-13-9-6-10-14-16;12*1-2;;;;/h1-2,5-14,17-18H;;;;;;;;;;;;;;;;/t17-,18+;;;;;;;;;;;;;;;;